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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

DOE Energy Frontier Research Centers Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio)

New capabilities to predict, design and control the chemistries of carbon could answer a global imperative to transition from fossil-based to sustainable transportation fuels. While the use of inexpensive hydrocarbons has been an unparalleled achievement and enabler of economic prosperity for many nations, singular dependence upon crude oil has given rise to systemic vulnerabilities in climate, energy, economic, and national security. Lignocellulosic biomass, a renewable and carbon-neutral resource, has the potential to displace an estimated annual equivalent of three billion barrels of oil in the U.S. alone (National Research Council 2009, U. S. Department of Energy, 2011). However, biomass has only one-third the energy density of crude oil (Agrawal and Singh 2009, Richard 2010) and lacks petroleum’s versatility as a feedstock for fuels and chemicals. These limitations keep biomass conversion below the efficiency level needed for strategic impact while the scientific challenge of routing carbon from one molecular context to another remains unmet. In 2009, the Center for Direct Catalytic Conversion of Biomass to Biofuels (C3Bio) recognized the potential of chemical catalysis and fast pyrolysis to overcome such limitations by transforming the main components of biomass (cellulose, xylan, and lignin) from grasses and trees directly to liquid hydrocarbons and aromatic co-products. Enabled by the EFRC high-risk, high-reward approach to grand challenge science, C3Bio researchers have been key national players in disrupting the conventional paradigm of the cellulosic biorefinery into a new future of “no carbon left behind”—the full utilization of carbon from plant cell walls in energy-dense fuels (Fig. 1). We identified catalytic and fast-pyrolytic pathways that utilize cellulose, xylan and, most significantly, lignin. We developed catalytic processes that deoxygenate and transform monomers and isolated polymers into useful products and tested their use with intact biomass. We gained control of lignin synthesis within plants and initiated tailoring biomass to its end-use through the tools of plant molecular biology and genetic engineering. C3Bio breakthroughs have increased the energy density of biomass-derived substrates via catalytic and pyrolytic conversions into products such as benzoquinones, furfural and hydroxymethylfurfural, levoglucosan and levulinic acid, methoxypropylphenols and propylbenzene. Such advances in biomass conversion would not have been possible without simultaneous advances in analytical instrumentation and methodologies, and imaging technologies and applications. The legacy science developed by C3Bio enables design and control strategies for achieving a targeted product portfolio of fuel and chemical feedstocks from a diverse range of native and tailored biomass. Our research provides the knowledge base required for a bio-economy with product streams as diverse in functionality as those of the petrochemical industry. Coupling targeted computational modeling with experimentation, we achieved: (1) fundamental understanding of biopolymers and cell wall architecture assembly, (2) discovery of new chemistries that allow the development of highly selective pathways to fuels and desirable chemicals, and (3) an integrated systems-level understanding to control catalytic and pyrolytic pathways.

09 BIOMASS FUELS↗
DOE OSTI2023

Rapidly Viable Sustained Grid

Rapid recovery of power flow, possibly after a blackout, is a crucial need arising in scenarios that are increasingly becoming more frequent; here, solutions for rapid viability of power while the grid is being restored are urgently needed to keep critical infrastructure (CI) online. Increasingly, after the initial recovery phase, sustenance of reliable power requires assistive services to the grid for long periods of time. Even though the need is urgent, there is only sparse effort present toward a comprehensive framework/strategy for making power rapidly viable with an emphasis on sustained grid ancillary services; which is the focus of this proposal. The proposed concept envisions four phases. In the first phase, when a large portion of power is disrupted (see Figure 1(a)), emphasis is on bringing CI online with the objective of maximizing the time horizon of power viability using resources available at the CI. In the second phase (Figure 1(b)), neighborhood resources are tightly coordinated that forms the CI’s central-core (CC) to provide guaranteed viability of CI over a longer horizon. In the third phase, self-organizing power networks are expanded in a distributed layer supporting the central-core (Figure 1(c)). In the fourth phase, separate CI-networks coalesce and are controlled in a coordinated fashion to provide grid ancillary services (AS), such as primary frequency control and enhancing grid resiliency. With time, system efficiencies and penetration of renewables increase, while the time-horizon of guaranteed sustenance of CI is maximized. Under proposed work, the concept will be instantiated with a focus on medical centers as CI. Comprehensive power hardware in the loop strategies and emulated field tests will guide and validate devised solutions. A strong T2M effort to commercialize resulting technology is outlined. The proposed technology will be transformative for the grid. It will fundamentally change the way large contingencies are managed where power systems and critical infrastructure transition from being fragile to being robust using intelligent, self-organizing control for coordinating resources, enhanced resiliency and use of sustainable energy sources.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

Revisiting Néel 60 years on: The magnetic anisotropy of L1 0 FeNi (tetrataenite)

The magnetocrystalline anisotropy energy of atomically ordered L1 0 FeNi (the meteoritic mineral tetrataenite) is studied within a first-principles electronic structure framework. Two compositions are examined: equiatomic Fe 0.5 Ni 0.5 and an Fe-rich composition, Fe 0.56 Ni 0.44 . It is confirmed that, for the single crystals modeled in this work, the leading-order anisotropy coefficient K 1 dominates the higher-order coefficients K 2 and K 3 . To enable comparison with experiment, the effects of both imperfect atomic long-range order and finite temperature are included. While our computational results initially appear to undershoot the measured experimental values for this system, careful scrutiny of the original analysis due to Néel et al. [J. Appl. Phys. 35, 873 (1964)] suggests that our computed value of K 1 is, in fact, consistent with experimental values, and that the noted discrepancy has its origins in the nanoscale polycrystalline, multivariant nature of experimental samples, that yields much larger values of K 2 and K 3 than expected a priori. These results provide fresh insight into the existing discrepancies in the literature regarding the value of tetrataenite’s uniaxial magnetocrystalline anisotropy in both natural and synthetic samples.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Anionic Oxygen Redox in the High-Lithium Material Li 8 SnO 6

Lithiated transition metal oxide cathode materials that combine oxygen-anion redox [O 2 – /(O 2 ) n– ] with cation redox offer substantial capacities and higher voltage than cathodes without oxygen redox, but oxygen-anion redox is usually accompanied by the formation of peroxo or superoxo species that may cause oxygen release. To clarify the relationship between the oxygen release and peroxide and superoxide dimers without the complication of transition-metal redox, we performed density functional theory calculations to study the layered Li 8 SnO 6 cathode because it has only oxygen-anion redox during delithiation. Features with O–O distances of ~1.5 Å (corresponding to the formation of a peroxide) were observed at 75% lithium concentration, and further delithiation to 62.5% lithium concentration shortened the O–O bond distance to ~1.3 Å (corresponding to the formation of superoxide). The solely anionic oxygen redox stabilizes the delithiated structure of Li 8–x SnO 6 , and it does not cause structural disorder or release oxygen gas. Ab initio molecular dynamics calculations in the supercell at 300 K indicate that oxygen dimerization may occur at 75% lithium concentration. On the (0001) surface with a high lithium concentration (98%), oxygen dimerization is unfavorable. The calculations by HSE06 show that oxygen redox in Li 8 SnO 6 offers an initial voltage (vs Li/Li + ) greater than 4.2 V. The GGA+U calculations indicate that the Li + -polaron in Li 95 Sn 12 O 72 migrates with a migration barrier of only 0.43 eV. Here, this work also quantifies a solely anionic oxygen redox mechanism in Li 8 SnO 6 , and it provides a deeper understanding of anionic oxygen redox in Li-excess oxide cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2023

Laser-driven ramp-compression experiments on the national ignition facility

This report details the analyses and related uncertainties in measuring longitudinal-stress–density paths in indirect laser-driven ramp equation-of-state (EOS) experiments. Experiments were conducted at the National Ignition Facility (NIF) located at the Lawrence Livermore National Laboratory. The NIF can deliver up to 2 MJ of laser energy over 30 ns and provide the necessary laser power and control to ramp compress materials to TPa pressures (1 TPa = 10 × 10 6 atmospheres). These data provide low-temperature solid-state EOS data relevant to the extreme conditions found in the deep interiors of giant planets. In these experiments, multi-stepped samples with thicknesses in the range of 40–120 µm experience an initial shock compression followed by a time-dependent ramp compression to peak pressure. Interface velocity measurements from each thickness combine to place a constraint on the Lagrangian sound speed as a function of particle velocity, which in turn allows for the determination of a continuous stress–density path to high levels of compressibility. In this report, we present a detailed description of the experimental techniques and measurement uncertainties and describe how these uncertainties combine to place a final uncertainty in both stress and density. Here, we address the effects of time-dependent deformation and the sensitivity of ramp EOS techniques to the onset of phase transformations.

47 OTHER INSTRUMENTATION↗
DOE OSTI2023

Sorption-enhanced steam reforming of toluene using multifunctional perovskite phase transition sorbents in a chemical looping scheme

Abstract Sorption-enhanced steam reforming (SESR) of toluene (SESRT) using catalytic CO 2 sorbents is a promising route to convert the aromatic tar byproducts formed in lignocellulosic biomass gasification into hydrogen (H 2 ) or H 2 -rich syngas. Commonly used sorbents such as CaO are effective in capturing CO 2 initially but are prone to lose their sorption capacity over repeated cycles due to sintering at high temperatures. Herein, we present a demonstration of SESRT using A- and B-site doped Sr 1− x A’ x Fe 1− y B’ y O 3− δ (A’ = Ba, Ca; B’ = Co) perovskites in a chemical looping scheme. We found that surface impregnation of 5–10 mol% Ni on the perovskite was effective in improving toluene conversion. However, upon cycling, the impregnated Ni tends to migrate into the bulk and lose activity. This prompted the adoption of a dual bed configuration using a pre-bed of NiO/ γ –Al 2 O 3 catalyst upstream of the sorbent. A comparison is made between isothermal operation and a more traditional temperature-swing mode, where for the latter, an average sorption capacity of ∼38% was witnessed over five SESR cycles with H 2 -rich product syngas evidenced by a ratio of H 2 : CO x > 4.0. XRD analysis of fresh and cycled samples of Sr 0.25 Ba 0.75 Fe 0.375 Co 0.625 O 3- δ reveal that this material is an effective phase transition sorbent—capable of cyclically capturing and releasing CO 2 without irreversible phase changes occurring.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

First high-resolution γ-ray spectroscopy of 41 Si

The first high-resolution in-beam γ -ray spectroscopy is reported for the neutron-rich nucleus 41 Si, a tenant of the N = 28 island of inversion. Excited states were populated in the direct one-proton removal reaction from 42 P projectiles and pn removal from 43 P. Seven γ-ray transitions were observed, only one of which had been reported previously in the literature. Furthermore, this makes 41 Si the most neutron-rich odd-even N = 27 isotone with high-resolution excited-state information. For the one-proton removal, the measured partial cross-section distribution to all observed bound final states is contrasted with results from direct one-proton removal calculations that combine eikonal reaction dynamics with SDPF-MU shell-model spectroscopic factors and assume various possible initial states for the poorly known 42 P projectile. Rather distinct calculated cross-section distributions emerge that, in comparison to the new data, imply that the initial state in 42 P is most likely 3 – or 2 – rather than 1 – or 0 – , the predicted shell-model ground state of 42 P. It is further shown that the level scheme from the novel VS-IMSRG calculation closely agrees with the one of SDPF-MU, the most successful phenomenological shell-model effective interaction in describing the much discussed neighboring isotope 42 Si, perhaps cross-validating these complementary approaches on the quest to model rapid shell evolution away from the valley of β stability.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

BioPhotovoltaics: New paradigm towards high-efficiency and high-stability cells

In this project, we demonstrated significant progress in the development of Bio-Photovoltaic (BioPV) technology, with a particular focus on the transition from the initial success with Artemisinin (ART) to the development of the E1 compound. This journey began with the exploration of less conformationally restricted analogs of ART, leading to the discovery of E1. The initial success in the first quarter with ART set a precedent for the project, guiding our approach in molecular selection and design. Our computational studies provided a solid rationale for selecting specific biomolecules, with density functional theory calculations revealing the potential of certain molecules to form beneficial interactions with perovskite. This was a crucial step in narrowing down the candidate molecules from a broader selection. Subsequently, our approach involved simplifying these molecules to refine their properties and enhance their performance in bioPV applications. The ART-MAPbI3 films, for example, showcased not only high carrier mobility and hydrophobicity but also a significant increase in PCE. The evolution from ART to E1 was marked by a thorough understanding of molecular interactions and their impact on the material’s performance. This progression, from the complexity of lead candidates to the modeling and testing of simplified compounds, has culminated in the development of next-generation biomolecules with vastly improved properties. The link between E1 and ART, through this enhanced understanding, has been compelling and instrumental in achieving the milestones set forth in our project. The success in material and device performance underscores the importance of fundamental molecular design parameters, pointing towards future potential in the field of bioPV technology.

14 SOLAR ENERGY↗
DOE OSTI2025

Immersive Digital Twin Laboratory for Engineering Education (CRADA Final Report)

This project aimed to create an immersive digital twin laboratory that incorporates advanced tracking and visualization capabilities. In collaboration with Fort Lewis College, NREL designed a state-of-the-art physical visualization laboratory, developed a software platform to enable interaction with tracked physical objects in the laboratory, and provided proof-of-concept curricula that included manipulating these tracked objects. The project was initiated to address the growing need for innovative educational tools in engineering education. As renewable energy systems, particularly solar installations, become more complex, there is a pressing need to bridge the gap between theoretical knowledge and practical application. Traditional methods of teaching solar engineering concepts often fall short of providing students with a comprehensive, hands-on understanding. This immersive digital twin laboratory was conceived to fill that gap by creating a safe, non-energized setting where students can interact with augmented solar installation objects, gaining valuable insights into system performance, design, and maintenance. The project utilized extended reality (XR) technologies, including head-mounted displays (HMDs) and a whole-room optical motion tracking system, to connect physical objects with their digital twins in real time. The laboratory was equipped with MagicLeap 2 HMDs, supported by a Vicon Vero 2.2 Optical Tracking System, which provided precise 6-degrees-of-freedom (6-DOF) tracking. We developed a software platform to manage the interaction between the tracked physical objects and their virtual counterparts, enabling real-time data synchronization, object recognition, and virtual overlays. We designed the system to be flexible and extendable, allowing for future integration of additional objects and curriculum. This research advances the field of engineering education by demonstrating the potential of immersive digital twin environments. The laboratory provides a dynamic learning space where students can experiment, collaborate, and learn without the risks associated with live experimentation. The ability to simulate and manipulate solar installation objects under various conditions has broad implications for workforce development, particularly in renewable energy. The project also highlights the economic feasibility of using XR technologies in educational settings, offering a cost-effective solution for institutions looking to enhance their curriculum. By fostering a deeper understanding of solar energy systems, this work contributes to the broader goal of supporting the global energy transition and preparing the next generation of engineers and technicians.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2023

The Role of Transition Metals on Chemo-Mechanical Instabilities in Prussian Blue Analogues For K-Ion Batteries: The Case Study on KNHCF Versus KMHCF

Prussian blue analogues (PBAs) cathodes can host diverse monovalent and multivalent metal ions due to their tunable structure. However, their electrochemical performance suffers from poor cycle life associated with chemo-mechanical instabilities. This study investigates the driving forces behind chemo-mechanical instabilities in Ni- and Mn-based PBAs cathodes for K-ion batteries by combining electrochemical analysis, digital image correlation, and spectroscopy techniques. Capacity retention in Ni-based PBA is 96% whereas it is 91.5% for Mn-based PBA after 100 cycles at C/5 rate. During charge, the potassium nickel hexacyanoferrate (KNHCF) electrode experiences a positive strain generation whereas the potassium manganese hexacyanoferrate (KMHCF) electrode undergoes initially positive strain generation followed by a reduction in strains at a higher state of charge. Overall, both cathodes undergo similar reversible electrochemical strains in each charge–discharge cycle. There is ~0.80% irreversible strain generation in both cathodes after 5 cycles. XPS studies indicated richer organic layer compounds in the cathode-electrolyte interface (CEI) layer formed on KMHCF cathodes compared to the KNHCF ones. Faster capacity fades in Mn-based PBA, compared to Ni-based ones, is attributed to the formation of richer organic compounds in CEI layers, rather than mechanical deformations. In conclusion, understanding the driving forces behind instabilities provides a guideline to develop material-based strategies for better electrochemical performance.

25 ENERGY STORAGE↗
DOE OSTI2022

A crossed molecular beams and computational study on the unusual reactivity of banana bonds of cyclopropane (c-C 3 H 6 ; X 1 A$^{'}_{1}$ ) through insertion by ground state carbon atoms (C( 3 P j ))

The mechanism and chemical dynamics of the reaction of ground electronic state atomic carbon C( 3 P j ) with cyclopropane c-C 3 H 6 (X 1 A$^{'}_{1}$) have been explored by combining crossed molecular beams experiments with electronic structure calculations of the pertinent triplet C 4 H 6 potential energy surface and statistical computations of product branching ratios under single-collision conditions. The experimental findings suggest that the reaction proceeds via indirect scattering dynamics through triplet C 4 H 6 reaction intermediate(s) leading to C 4 H 5 product(s) plus atomic hydrogen via a tight exit transition state, with the overall reaction exoergicity evaluated as 231 ± 52 kJ mol –1 . The calculations indicate that C( 3 P j ) can easily insert into one of the three equivalent C–C ‘banana’ bonds of cyclopropane overcoming a low barrier of only 2 kJ mol –1 following the formation of a van der Waals reactant complex stabilized by 15 kJ mol –1 . The carbon atom insertion into one of the six C–H bonds is also feasible via a slightly higher barrier of 5 kJ mol –1 . Here, these results highlight an unusual reactivity of cyclopropane's banana C–C bonds, which behave more like unsaturated C–C bonds with a π-character than saturated σ C–C bonds, which are known to be generally unreactive toward the ground electronic state atomic carbon such as in ethane (C 2 H 6 ). The statistical theory predicts the overall product branching ratios at the experimental collision energy as 50% for 1-butyn-4-yl, 33% for 1,3-butadien-2-yl, i-C 4 H 5 , and 11% for 1,3-butadien-1-yl, n-C 4 H 5 , with i-C 4 H 5 (230 kJ mol –1 below the reactants) favored by the C–C insertion providing the best match with the experimentally observed reaction exoergicity. The C( 3 P j ) + c-C 3 H 6 reaction is predicted to be a source of C 4 H 5 radicals under the conditions where its low entrance barriers can be overcome, such as in planetary atmospheres or in circumstellar envelopes but not in cold molecular clouds. Both i- and n-C 4 H 5 can further react with acetylene eventually producing the first aromatic ring and hence, the reaction of the atomic carbon with c-C 3 H 6 can be considered as an initial step toward the formation of benzene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Semantic Interoperability to Enable Smart, Grid-Interactive Efficient Buildings

Achieving a widespread transition to grid-interactive, efficient buildings (GEBs) depends critically on there being sufficient interoperability among connected building systems. While many critical elements already exist at the technical interoperability level (TCP/IP, BACnet, etc.), a lack of interoperability in the semantic level hinders streamlined integration of interdependent applications. Semantics refers to expressing information about “things” in a way that can be consistently understood by applications. Key components of formalized semantics include identifying what a “thing” is (its “type”), defining general information about that “thing” (its characteristics or properties), and defining the appropriate relationships of that “thing” to other “things” (its function or role in a larger system). Although this might seem initially trivial, the success of smart building applications is highly dependent on maintaining consistent notions of the “things” being self-descriptive. Without semantic interoperability, it is technically difficult, labor-intensive, and cost-prohibitive to enable three key objectives of GEBs: optimizing performance, identifying faults, and delivering grid services. Industry, academia, and standards bodies have invested effort in developing information models to facilitate semantic interoperability, however, they have not been widely adopted across the U.S. commercial building portfolio. This paper will present a pathway to drive semantic interoperability through a three-pronged approach to be led by the DOE Building Technologies Office in partnership with NIST and multiple national laboratories comprising: 1) industry engagement and coordination across existing efforts; 2) a semantic interoperability standard that empowers building owners to identify and require interoperable attributes when procuring equipment and applications; 3) tools to assist in implementation and a test framework that can verify compliance of products with semantic interoperability specifications. This strategic approach is designed to accelerate the timeline for adoption of semantic interoperability standards. The intent is to reduce soft costs associated with implementing advanced controls, fault detection and diagnostics, and other smart building technologies as a necessary step in achieving an energy efficient smart grid future.

semantic interoperability, Semantic modeling, inte↗
DOE OSTI2023

High-Performance Low-Cobalt Cathode Materials for Li-ion Batteries

The layer-structured Li[Ni x Co y Mn 1-x-y ]O 2 (NCM) cathode materials have been the best choice for increasing electric vehicle driving distance per charge. The high Ni layered oxide represents successfully commercialized NCM cathodes (such as NCM622 and NCA) in lithium-ion batteries (LIBs) for EV applications due to their high energy density and acceptable cycling stability. However, the price of cobalt, the key element within LIBs for stability, has nearly tripled over the past few years due to increased demand from the cell phone industry. As mentioned in the DOE Funding Opportunity Announcement, the current materials shortage will also cause speculation for a future global shortage. Therefore, to meet the requirement and sustainability of the next-generation long-range and low-cost EVs, developing cathode materials with low-Co content to achieve higher energy density and lower cost is both essential and urgent. The overarching objective of this work is to develop stabilized NCM cathode materials with low Co content (namely LiNi x Co y Mn 1-x-y O 2 , y ≤ 0.04) to meet DOE’s goal of reducing Co loading below 50 mg Wh -1 while maintaining energy density greater than 600 Wh kg -1 based on cathode material. Via various dopings and coatings scalable methods, we explored and enhanced the cycling performance of low-cobalt cathodes. The final obtained NCM cathodes paired with graphite anode aim to deliver batteries with a high initial specific energy density of over 240 Wh kg -1 and a low capacity fading rate of less than 20% in 1000 cycles under a C/3 discharge rate. To accomplish this goal, a multidisciplinary team with several co-investigators has been formed from three organizations: The Pennsylvania State University (PSU), Oak Ridge National Laboratory (ORNL), and Pacific Northwest National Laboratory (PNNL). The PI and co-investigators are Dr. Donghai Wang (PI) from PSU with expertise in the synthesis of nanostructured materials and manipulation of interfacial properties of electrochemically active materials, Dr. Jagjit Nanda, with substantial knowledge of and expertise in state-of-the-art cathodes from ORNL, Dr. Chao-Yang Wang with significant experience in advanced cell design and fabrication and cell diagnostics from PSU, and Dr. Chongmin Wang with world-wide known expertise of advance atomic scale characterization of electrode materials from PNNL. Furthermore, this project will leverage and synergistically work with the current DOE-funded programs on battery materials at PSU and ORNL and electrode materials characterization at PNNL. During this funded period, we have accomplished milestones stated as follows: • Scale up production of LiFePO 4 (LFP) coated NCM811 with a production of 300g/batch. Fifteen (≥2 Ah) pouch cells with LFP-coated NCM811 cathode are delivered. Self-evaluated pouch cells in PSU show superior over 80% capacity retention performance even after 1500 cycles at C/3 rate. • Various cations (Al, Ti, Zr, and Mo) substitute cobalt in low-cobalt partially and Co-free cathodes. Their effects on crystal structure and electrochemical behavior are explored. • Phosphate compounds as coating materials represent promising surface protection precursors for low-cobalt cathode materials. Therefore, several metal phosphates were selected for improving the NMC cycling performance and are regarded as effective approaches for a scalable and practical surface protection method. • Production of NCM92, where Nickel content is 92% among transition metals, is scaled up from synthesis to coating and heat treatment procedures. Fifteen 2.7Ah pouch cells with Ti-doped NCM92 cathodes and industrial graphite anode are delivered to Idaho National Lab for testing.

25 ENERGY STORAGE↗
DOE OSTI2020

Attack-resilient algorithms and testbed federation for wide-area protection and control in smart grid

Today’s energy infrastructure is undergoing a massive transformation across all generation, transmission, and distribution systems to provide reliability, efficiency, and sustainability to the power system network. During the past 10 years, there has been a remarkable enhancement in developing close-loop wide-area protection and control (WAPAC) applications, such as automatic generation control (AGC), wide-area protection scheme (WAPS), synchrophasor-based wide-area voltage control system (WAVCS), etc., in the energy management system (EMS) to provide an adequate situational awareness to control center operators during physical disturbances and natural events. The rapid digitalization, unencrypted communication, and numerous data-sharing devices have increased digital access points that have exposed the grid network to countless cyberattacks pertinent to the WAPAC cybersecurity. Given the amount of complex grid network coupled with legacy infrastructures, it is untrustworthy to completely rely on information technology (IT)-based conventional security measures to defend against evolving cyberattacks. Hence, there is a compelling need to go beyond the traditional paradigm of ‘security by obscurity’ and ‘bolt-on’ security measures, and develop a suite of innovative security solutions at multiple layers to transform the current “fault-resilient” grid into “fault and attack-resilient” grid of the future. This dissertation specifically focuses on developing application-specific attack-resilient solutions for critical WAPAC applications in the smart grid. The first part of the study, Attack-Resilient Wide-Area Protection Scheme, presents a cyber-physical attack-resilient system (CPARS) for WAPS, where two anomaly detection methods are proposed to detect multi-level cyberattacks followed by the rules-based intrusion mitigation system (RIMS) to initiate effective mitigation strategies, tailored to these attacks, to restore the normal grid operation after disturbances. The first anomaly detection component, Machine learning-based Anomaly Detection for Centralized WAPS, discusses a novel architecture and methodology for developing a machine-learning-based anomaly detection system (ADS) for the centralized wide-area protection system (CWAPS) by applying the variational mode decomposition (VMD) technique and decision tree (DT) algorithms using cyber logs and synchrophasor measurements. The second component, Multi-Agent-based Anomaly Detection for Decentralized WAPS, presents a two-level hierarchical multi-agent-based decentralized WAPS against the system-aware stealthy cyber-attacks. Finally, for the RIMS, the state transition diagram-based mitigation measures are defined based on the grid operation states and experimental testing and evaluation are presented in a cyber-physical testbed environment. The second part of the study, Attack-Resilient Wide-Area Voltage Control System, addresses the existing vulnerabilities in the wide-area voltage control system (WAVCS), presents the methodology for performing an impact analysis during data integrity attacks, and proposes a data-driven attackresilient system (DARS) by incorporating machine learning-based ADS and rules-based anomaly mitigation system (RAMS) to detect these attacks and provide necessary mitigation actions to maintain the transient voltage stability after disturbances. Finally, the third part, Networked Federation Testbed (NEFTSec) for Smart Grid Cybersecurity, focuses on developing an interconnected federated testbed through a common network like the internet, describes its conceptual architectures, and also presents its design components for experimental testing, validation, and evaluation. Further, it presents the co-simulation interface algorithm (CIA) to facilitate the geographically-dispersed real-time distributed simulation (GD-RTDS) during the cyber-physical federation. In general, this dissertation presents innovative attack-resilient solutions for WAPAC applications that are experimentally tested and evaluated using the PowerCyber testbed and NEFTSec platform to accelerate the transition of state-of-the-art research works to the real-field deployments.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2020

Semantic Interoperability to Enable Smart, Grid-Interactive Efficient Buildings

Achieving a widespread transition to grid-interactive, efficient buildings (GEBs) depends critically on there being sufficient interoperability among connected building systems. While many critical elements already exist at the technical interoperability level (TCP/IP, BACnet, etc.), a lack of interoperability in the semantic level hinders streamlined integration of interdependent applications. Semantics refers to expressing information about “things” in a way that can be consistently understood by applications. Key components of formalized semantics include identifying what a “thing” is (its “type”), defining general information about that “thing” (its characteristics or properties), and defining the appropriate relationships of that “thing” to other “things” (its function or role in a larger system). Although this might seem initially trivial, the success of smart building applications is highly dependent on maintaining consistent self-descriptive notions of the “things”. Without semantic interoperability, it is technically difficult, labor-intensive, and cost-prohibitive to enable three key objectives of GEBs: optimizing performance, automatically identifying and diagnosing faults, and delivering grid services. Industry, academia, and standards bodies have invested effort in developing information models to facilitate semantic interoperability, however, they have not been widely adopted across the U.S. commercial building portfolio. This paper will present a pathway to drive semantic interoperability through a three-pronged approach to be led by the DOE Building Technologies Office in partnership with NIST and multiple national laboratories comprising: 1) industry engagement and coordination across existing efforts; 2) a semantic interoperability standard that empowers building owners to identify and require interoperable attributes when procuring equipment and applications; 3) tools to assist in implementation and a test framework to verify compliance of products with semantic interoperability specifications. This approach is designed to accelerate the timeline for adoption of semantic interoperability specifications. The intent is to reduce soft costs associated with implementing advanced controls, fault detection and diagnostics, and other smart building technologies and use cases as a necessary step in achieving an energy efficient smart grid future.

Bergmann, Harry↗
DOE OSTI2020

Semantic Interoperability to Enable Smart, Grid-Interactive Efficient Buildings

Achieving a widespread transition to grid-interactive, efficient buildings (GEBs) depends critically on there being sufficient interoperability among connected building systems. While many critical elements already exist at the technical interoperability level (TCP/IP, BACnet, etc.), a lack of interoperability in the semantic level hinders streamlined integration of interdependent applications. Semantics refers to expressing information about “things” in a way that can be consistently understood by applications. Key components of formalized semantics include identifying what a “thing” is (its “type”), defining general information about that “thing” (its characteristics or properties), and defining the appropriate relationships of that “thing” to other “things” (its function or role in a larger system). Although this might seem initially trivial, the success of smart building applications is highly dependent on maintaining consistent self-descriptive notions of the “things”. Without semantic interoperability, it is technically difficult, labor-intensive, and cost-prohibitive to enable three key objectives of GEBs: optimizing performance, automatically identifying and diagnosing faults, and delivering grid services. Industry, academia, and standards bodies have invested effort in developing information models to facilitate semantic interoperability, however, they have not been widely adopted across the U.S. commercial building portfolio. This paper will present a pathway to drive semantic interoperability through a three-pronged approach to be led by the DOE Building Technologies Office in partnership with NIST and multiple national laboratories comprising: 1) industry engagement and coordination across existing efforts; 2) a semantic interoperability standard that empowers building owners to identify and require interoperable attributes when procuring equipment and applications; 3) tools to assist in implementation and a test framework to verify compliance of products with semantic interoperability specifications. This approach is designed to accelerate the timeline for adoption of semantic interoperability specifications. The intent is to reduce soft costs associated with implementing advanced controls, fault detection and diagnostics, and other smart building technologies and use cases as a necessary step in achieving an energy efficient smart grid future.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2020

Exploring the Charge Compensation Mechanism of P2-Type Na 0.6 Mg 0.3 Mn 0.7 O 2 Cathode Materials for Advanced Sodium-Ion Batteries

P2-type sodium layered transition metal oxides have been intensively investigated as promising cathode materials for sodium-ion batteries (SIBs) by virtue of their high specific capacity and high operating voltage. However, they suffer from problems of voltage decay, capacity fading, and structural deterioration, which hinder their practical application. Therefore, a mechanistic understanding of the cationic/anionic redox activity and capacity fading is indispensable for the further improvement of electrochemical performance. Here, a prototype cathode material of P2-type Na 0.6 Mg 0.3 Mn 0.7 O 2 is comprehensively investigated, which presents both cationic and anionic redox behaviors during the cycling process. By a combination of soft X-ray absorption spectroscopy and electroanalytical methods, we unambiguously reveal that only oxygen redox reaction is involved in the initial charge process, then both oxygen and manganese participate in the charge compensation in the following discharge process. In addition, a gradient distribution of Mn valence state from surface to bulk is disclosed, which could be mainly related to the irreversible oxygen activity during the charge process. Furthermore, we find that the average oxidation state of Mn is reduced upon extended cycles, leading to the noticeable capacity fading. Our results provide deeper insights into the intrinsic cationic/anionic redox mechanism of P2-type materials, which is vital for the rational design and optimization of advanced cathode materials for SIBs.

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